# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Al-Mn # implementation = 2025--Sharifi-H--Cr-Al-Mn--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2025-07-01 r Cr Cr Al Al Al Cr Mn Mn Cr Mn Al Mn 0.02 6.540873203e+02 1.028140289e+05 8.200048867e+03 8.535592855e+03 4.566912541e+03 1.546737026e+04 0.04 2.974270961e+02 4.400192354e+04 3.615093586e+03 7.564245246e+03 3.916142677e+03 1.031710795e+04 0.06 1.817366538e+02 2.553665024e+04 2.150968855e+03 6.880819933e+03 3.528154127e+03 8.330846678e+03 0.08 1.255085055e+02 1.685684394e+04 1.451163925e+03 6.300277493e+03 3.219836268e+03 7.148826714e+03 0.10 9.282445045e+01 1.196920789e+04 1.050974036e+03 5.783430366e+03 2.953784840e+03 6.303335990e+03 0.12 7.175739755e+01 8.910587048e+03 7.969665067e+02 5.315325343e+03 2.716695264e+03 5.638158367e+03 0.14 5.722441042e+01 6.858160167e+03 6.242430482e+02 4.888078684e+03 2.502207793e+03 5.085819453e+03 0.16 4.670291143e+01 5.410802380e+03 5.008738466e+02 4.496575714e+03 2.306616402e+03 4.612005392e+03 0.18 3.880451606e+01 4.351605415e+03 4.094456364e+02 4.137029258e+03 2.127435829e+03 4.197096762e+03 0.20 3.270530857e+01 3.553960781e+03 3.397184205e+02 3.806395640e+03 1.962825551e+03 3.828812156e+03 0.22 2.788735627e+01 2.939466088e+03 2.853104657e+02 3.502102980e+03 1.811325458e+03 3.498881002e+03 0.24 2.400993348e+01 2.457234689e+03 2.420567376e+02 3.221910149e+03 1.671721659e+03 3.201390715e+03 0.26 2.084044988e+01 2.072950668e+03 2.071343696e+02 2.963826348e+03 1.542972378e+03 2.931901709e+03 0.28 1.821516468e+01 1.762727048e+03 1.785688338e+02 2.726061288e+03 1.424164010e+03 2.686943877e+03 0.30 1.601577310e+01 1.509490653e+03 1.549417593e+02 2.506992025e+03 1.314483382e+03 2.463715433e+03 0.32 1.415486872e+01 1.300762017e+03 1.352107840e+02 2.305139388e+03 1.213199201e+03 2.259894445e+03 0.34 1.256660780e+01 1.127243071e+03 1.185946205e+02 2.119150261e+03 1.119649006e+03 2.073516189e+03 0.36 1.120054293e+01 9.818915000e+02 1.044975804e+02 1.947783666e+03 1.033229542e+03 1.902890540e+03 0.38 1.001743918e+01 8.592966724e+02 9.245862238e+01 1.789899388e+03 9.533893865e+02 1.746544398e+03 0.40 8.986373767e+00 7.552492328e+02 8.211617752e+01 1.644448416e+03 8.796230738e+02 1.603180386e+03 0.42 8.082685975e+00 6.664381665e+02 7.318337218e+01 1.510464725e+03 8.114662992e+02 1.471646398e+03 0.44 7.286499636e+00 5.902332895e+02 6.543021811e+01 1.387058087e+03 7.484918880e+02 1.350912531e+03 0.46 6.581642675e+00 5.245267649e+02 5.867061687e+01 1.273407693e+03 6.903063495e+02 1.240053216e+03 0.48 5.954845050e+00 4.676158915e+02 5.275272922e+01 1.168756455e+03 6.365468817e+02 1.138233077e+03 0.50 5.395134479e+00 4.181151742e+02 4.755173052e+01 1.072405857e+03 5.868787331e+02 1.044695510e+03 0.52 4.893376521e+00 3.748897255e+02 4.296430473e+01 9.837112971e+02 5.409928570e+02 9.587533077e+02 0.54 4.441920000e+00 3.370042203e+02 3.890440640e+01 9.020778322e+02 4.986038084e+02 8.797808369e+02 0.56 4.034320609e+00 3.036833835e+02 3.529996359e+01 8.269563022e+02 4.594478475e+02 8.072074257e+02 0.58 3.665123775e+00 2.742811966e+02 3.209029364e+01 7.578397724e+02 4.232812192e+02 7.405117065e+02 0.60 3.329692099e+00 2.482566582e+02 2.922405590e+01 6.942602704e+02 3.898785877e+02 6.792167246e+02 0.62 3.024067164e+00 2.251545792e+02 2.665761808e+01 6.357857862e+02 3.590316074e+02 6.228856714e+02 0.64 2.744858108e+00 2.045902836e+02 2.435374507e+01 5.820175124e+02 3.305476138e+02 5.711181359e+02 0.66 2.489150853e+00 1.862373133e+02 2.228053650e+01 5.325873003e+02 3.042484237e+02 5.235467851e+02 0.68 2.254433789e+00 1.698175110e+02 2.041056257e+01 4.871553158e+02 2.799692322e+02 4.798344116e+02 0.70 2.038536539e+00 1.550929773e+02 1.872015694e+01 4.454078771e+02 2.575575983e+02 4.396712930e+02 0.72 1.839579037e+00 1.418595005e+02 1.718883374e+01 4.070554587e+02 2.368725101e+02 4.027728195e+02 0.74 1.655929091e+00 1.299411797e+02 1.579880606e+01 3.718308494e+02 2.177835240e+02 3.688773566e+02 0.76 1.486166743e+00 1.191859969e+02 1.453458561e+01 3.394874508e+02 2.001699696e+02 3.377443121e+02 0.78 1.329054155e+00 1.094621533e+02 1.338256160e+01 3.097977056e+02 1.839202165e+02 3.091523838e+02 0.80 1.183510127e+00 1.006550318e+02 1.228232248e+01 2.825516464e+02 1.689309968e+02 2.828979675e+02 0.82 1.048588357e+00 9.266466413e+01 1.110424424e+01 2.575555534e+02 1.551067794e+02 2.587937069e+02 0.84 9.234588482e-01 8.540361118e+01 9.891264337e+00 2.346307156e+02 1.423591915e+02 2.366671719e+02 0.86 8.073919681e-01 7.879518652e+01 8.685169431e+00 2.136122848e+02 1.306064840e+02 2.163596507e+02 0.88 6.997446877e-01 7.277195764e+01 7.516558469e+00 1.943482170e+02 1.197730367e+02 1.977250455e+02 0.90 5.999487002e-01 6.727448037e+01 6.407034532e+00 1.766982938e+02 1.097889015e+02 1.806287788e+02 0.92 5.075001336e-01 6.225022684e+01 5.371031318e+00 1.605332177e+02 1.005893787e+02 1.648635155e+02 0.94 4.219505962e-01 5.765267227e+01 4.417331670e+00 1.457337769e+02 9.211462610e+01 1.498956696e+02 0.96 3.428993955e-01 5.344048899e+01 3.550321748e+00 1.321900717e+02 8.430929655e+01 1.357782525e+02 0.98 2.699867544e-01 4.956436999e+01 2.771023154e+00 1.198008012e+02 7.712220284e+01 1.225884986e+02 1.00 2.028878801e-01 4.596041709e+01 2.077937483e+00 1.084726028e+02 7.050600754e+01 1.103472862e+02 1.02 1.413077949e-01 4.261633517e+01 1.467731788e+00 9.811944214e+01 6.444383373e+01 9.904146665e+01 1.04 8.497681174e-02 3.952021508e+01 9.357914700e-01 8.866204973e+01 5.957116178e+01 8.863831681e+01 1.06 3.603504935e-02 3.665791631e+01 4.766616587e-01 8.002739960e+01 5.585638591e+01 7.909463846e+01 1.08 8.954065071e-02 3.401414415e+01 8.439561777e-02 7.214822793e+01 5.294309303e+01 7.036233196e+01 1.10 2.495766069e-01 3.157322160e+01 -2.471737450e-01 6.496258818e+01 5.055986476e+01 6.239169712e+01 1.12 4.637947808e-01 2.931962957e+01 -5.242261419e-01 5.841343990e+01 4.850479147e+01 5.513329882e+01 1.14 6.957144645e-01 2.723837337e+01 -7.527983105e-01 5.244826893e+01 4.663220958e+01 4.853895759e+01 1.16 9.206616895e-01 2.531521915e+01 -9.386710499e-01 4.701873642e+01 4.484112482e+01 4.256222842e+01 1.18 1.122801048e+00 2.353683447e+01 -1.087290673e+00 4.208035456e+01 4.306534258e+01 3.715859572e+01 1.20 1.292822975e+00 2.189085907e+01 -1.203717988e+00 3.759218703e+01 4.126520044e+01 3.228552526e+01 1.22 1.426151944e+00 2.036592532e+01 -1.292599228e+00 3.351657230e+01 3.942076059e+01 2.790245408e+01 1.24 1.521570680e+00 1.895164386e+01 -1.358153945e+00 2.981886797e+01 3.752630204e+01 2.397076178e+01 1.26 1.580170272e+00 1.763856548e+01 -1.404176042e+00 2.646721466e+01 3.558593245e+01 2.045374399e+01 1.28 1.604552585e+00 1.641812772e+01 -1.434044691e+00 2.343231791e+01 3.361015672e+01 1.731659491e+01 1.30 1.598235746e+00 1.528259287e+01 -1.450742309e+00 2.068724674e+01 3.161324606e+01 1.452639834e+01 1.32 1.565216795e+00 1.422498140e+01 -1.456877611e+00 1.820724761e+01 2.961126533e+01 1.205212371e+01 1.34 1.509656407e+00 1.323900452e+01 -1.454711890e+00 1.596957251e+01 2.762063730e+01 9.864622060e+00 1.36 1.435657341e+00 1.231899820e+01 -1.446187085e+00 1.395332034e+01 2.565713726e+01 7.936617665e+00 1.38 1.347114597e+00 1.145985982e+01 -1.432954708e+00 1.213929027e+01 2.373521849e+01 6.242691634e+00 1.40 1.247619742e+00 1.065698888e+01 -1.416404616e+00 1.050984639e+01 2.186759953e+01 4.759255172e+00 1.42 1.140404641e+00 9.906232158e+00 -1.397693073e+00 9.048792643e+00 2.006505083e+01 3.464511391e+00 1.44 1.028310808e+00 9.203833482e+00 -1.377769675e+00 7.741257399e+00 1.833632837e+01 2.338405292e+00 1.46 9.137902971e-01 8.546388034e+00 -1.357402717e+00 6.573586751e+00 1.668821165e+01 1.362562239e+00 1.48 7.989196848e-01 7.930801617e+00 -1.337202849e+00 5.533246029e+00 1.512561395e+01 5.202172466e-01 1.50 6.854210409e-01 7.354254837e+00 -1.317644851e+00 4.608728822e+00 1.365173939e+01 -2.038631231e-01 1.52 5.746890450e-01 6.814171068e+00 -1.299087490e+00 3.789727663e+00 1.226826619e+01 -8.234659373e-01 1.54 4.678216929e-01 6.308188170e+00 -1.281791509e+00 3.200120604e+00 1.097554210e+01 -1.351021722e+00 1.56 3.656524822e-01 5.834133729e+00 -1.265935724e+00 3.254509853e+00 9.772777029e+00 -1.797696873e+00 1.58 2.687826353e-01 5.390003498e+00 -1.251631324e+00 3.605086230e+00 8.658235602e+00 -2.173486885e+00 1.60 1.776124476e-01 4.973942613e+00 -1.238934477e+00 3.986127266e+00 7.629419805e+00 -2.487309115e+00 1.62 9.237096793e-02 4.584229366e+00 -1.227857345e+00 4.259269447e+00 6.683232406e+00 -2.747093508e+00 1.64 1.314551209e-02 4.219261192e+00 -1.218377615e+00 4.366967852e+00 5.816123615e+00 -2.959870340e+00 1.66 -6.008779955e-02 3.877542563e+00 -1.210446697e+00 4.300422466e+00 5.024220485e+00 -3.131854161e+00 1.68 -1.274486061e-01 3.557674605e+00 -1.203996687e+00 4.077966843e+00 4.303438866e+00 -3.268523150e+00 1.70 -1.891338778e-01 3.258346158e+00 -1.198946230e+00 3.730900690e+00 3.649578914e+00 -3.374693580e+00 1.72 -2.453993303e-01 2.978326078e+00 -1.195205403e+00 3.294567286e+00 3.058405031e+00 -3.454589051e+00 1.74 -2.965431204e-01 2.716456633e+00 -1.192679722e+00 2.803046492e+00 2.525711500e+00 -3.511904349e+00 1.76 -3.428916752e-01 2.471647785e+00 -1.191273382e+00 2.286288481e+00 2.047375890e+00 -3.549863354e+00 1.78 -3.847875424e-01 2.242872253e+00 -1.190891835e+00 1.768846908e+00 1.619407325e+00 -3.571265907e+00 1.80 -4.225791055e-01 2.029161228e+00 -1.191443781e+00 1.269615027e+00 1.237976398e+00 -3.578541563e+00 1.82 -4.566120088e-01 1.829600616e+00 -1.192842670e+00 8.021566569e-01 8.994276754e-01 -3.573798463e+00 1.84 -4.872221490e-01 1.643327737e+00 -1.195007774e+00 3.753503142e-01 6.002923290e-01 -3.558862665e+00 1.86 -5.147300807e-01 1.469528406e+00 -1.197864903e+00 -5.834908056e-03 3.372968174e-01 -3.535327456e+00 1.88 -5.394368620e-01 1.307434306e+00 -1.201346821e+00 -3.395463756e-01 1.073654689e-01 -3.504594886e+00 1.90 -5.616255060e-01 1.156320630e+00 -1.205393413e+00 -6.263074901e-01 -9.238227004e-02 -3.467895618e+00 1.92 -5.815580806e-01 1.015503926e+00 -1.209951637e+00 -8.683641630e-01 -2.646393212e-01 -3.426305317e+00 1.94 -5.994682287e-01 8.843401035e-01 -1.214975303e+00 -1.069133663e+00 -4.119226596e-01 -3.380759726e+00 1.96 -6.155606982e-01 7.622226007e-01 -1.220424712e+00 -1.232757218e+00 -5.365886252e-01 -3.332068524e+00 1.98 -6.300118584e-01 6.485806461e-01 -1.226266161e+00 -1.363749070e+00 -6.408513038e-01 -3.280928063e+00 2.00 -6.429707218e-01 5.428776241e-01 -1.232471338e+00 -1.466731228e+00 -7.268031335e-01 -3.227933073e+00 2.02 -6.545603692e-01 4.446095233e-01 -1.239016694e+00 -1.546240177e+00 -7.964365436e-01 -3.173587428e+00 2.04 -6.648803042e-01 3.533039128e-01 -1.245883786e+00 -1.606591239e+00 -8.516649623e-01 -3.118313378e+00 2.06 -6.740121939e-01 2.685218271e-01 -1.253059612e+00 -1.651785725e+00 -8.943409461e-01 -3.062455957e+00 2.08 -6.820245590e-01 1.898535494e-01 -1.260535777e+00 -1.685445256e+00 -9.262692819e-01 -3.006295394e+00 2.10 -6.889752681e-01 1.169150015e-01 -1.268307315e+00 -1.710756686e+00 -9.492111159e-01 -2.950057965e+00 2.12 -6.949137513e-01 4.934630950e-02 -1.276371216e+00 -1.730409260e+00 -9.648748792e-01 -2.893922980e+00 2.14 -6.998830095e-01 -1.319002562e-02 -1.284724714e+00 -1.746505979e+00 -9.748920406e-01 -2.838029207e+00 2.16 -7.039213940e-01 -7.101185140e-02 -1.293363293e+00 -1.760437691e+00 -9.807780919e-01 -2.782480803e+00 2.18 -7.070626140e-01 -1.244218035e-01 -1.302278342e+00 -1.772735272e+00 -9.838826094e-01 -2.727352759e+00 2.20 -7.093324765e-01 -1.737147306e-01 -1.311454432e+00 -1.782981280e+00 -9.853361849e-01 -2.672695843e+00 2.22 -7.107559744e-01 -2.191897577e-01 -1.320866163e+00 -1.789898319e+00 -9.860050764e-01 -2.618541027e+00 2.24 -7.113598625e-01 -2.611688387e-01 -1.330474600e+00 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